Metabolite noroxymorphone

Name

noroxymorphone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

9NZ7111A9O

CAS number

Not Available

Weight

Average: 287.3105
Monoisotopic: 287.115758037

Chemical Formula

C₁₆H₁₇NO₄

InChI Key

HLMSIZPQBSYUNL-IPOQPSJVSA-N

InChI

InChI=1S/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2/t11-,14+,15+,16-/m1/s1

IUPAC Name

(1S,5R,13R,17S)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one

SMILES

[H][C@@]12CC3=C4C(O[C@H]5C(=O)CC[C@]1(O)[C@@]45CCN2)=C(O)C=C3

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-056u-9040000000-d3d27fe0dc8dcf214942
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-6ae5f0951e46336d8536
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00dr-0090000000-493efc1cd320d5a0780f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-7826393de08ebc0dbb07
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00gr-0090000000-9c453dc094399276c8f2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-716a9d0c6b61b6744298
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00ll-0090000000-b90b19d023b834ea9701

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	167.0501889	predicted	DarkChem Lite v0.1.0
[M-H]-	175.01167	predicted	DeepCCS 1.0 (2019)
[M+H]+	167.5942889	predicted	DarkChem Lite v0.1.0
[M+H]+	177.36967	predicted	DeepCCS 1.0 (2019)
[M+Na]+	166.8894889	predicted	DarkChem Lite v0.1.0
[M+Na]+	183.46281	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties